Compounds
| ID | Spectrum Quality | Annotated Name |
|---|---|---|
| CCMSLIB00000478120 | Bronze | Communesin&A&(identified&trough&in&silico&generated&spectrum) |
COMPOUND NPA008864
PROPERTIES
| NPAID | NPA008864 |
|---|---|
| CLUSTER ID | 72 |
| NODE ID | 67 |
| NAME | Communesin A |
| FORMULA | C28H32N4O2 |
| MOLECULAR WEIGHT (Da) | 456.5900 |
| ACCURATE MASS (Da) | 456.2525 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Penicillium |
| ORIGIN SPECIES | sp. |
| InChIKey | QKUUVGNHUMKUAN-CBRPJXDCSA-N |
| InChI | InChI=1S/C28H32N4O2/c1-16(33)31-14-12-27-18-9-5-6-10-19(18)29-24-28(27)13-15-32(25(27)31)22(23-26(2,3)34-23)17-8-7-11-20(21(17)28)30(24)4/h5-11,22-25,29H,12-15H2,1-4H3/t22-,23?,24+,25+,27-,28-/m0/s1 |
| SMILES | CC(=O)N1CC[C@]23[C@H]1N4CC[C@]25[C@H](NC6=CC=CC=C36)N(C7=CC=CC(=C57)[C@H]4C8C(O8)(C)C)C |
ORIGINAL ISOLATION REFERENCE
| CITATION | Numata, Atsushi; Takahashi, Chika; Ito, Yoshinori; Takada, Tamie; Kawai, Kenzo; et al. COMMUNESINS, CYTOTOXIC METABOLITES OF A FUNGUS ISOLATED FROM A MARINE ALGA Tetrahedron Letters 1993 34 (14) 2355-2358. | ||
|---|---|---|---|
| DOI | 10.1016/s0040-4039(00)77612-x | PMID | - |
